General Property |
Molceule ID (DB) | EGIN0000585 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 14 compound |
IUPAC Name | N-(3-chloro-4-fluorophenyl)-7-methoxy-5-[(3S)-oxolan-3-yloxy]quinazolin-4-amine |
Formula | C19H17ClFN3O3 |
Mass | 389.808 |
Exact Mass | 389.0942473 |
Composition | C (58.54%), H (4.4%), Cl (9.09%), F (4.87%), N (10.78%), O (12.31%) |
Atom Count | 44 |
PI | 10.02 |
Smiles | c12c(cc(cc1O[C@H]1CCOC1)OC)ncnc2Nc1ccc(c(c1)Cl)F |
InChI | 1S/C19H17ClFN3O3/c1-25-13-7-16-18(17(8-13)27-12-4-5-26-9-12)19(23-10-22-16)24-11-2-3-15(21)14(20)6-1
1/h2-3,6-8,10,12H,4-5,9H2,1H3,(H,22,23,24)/t12-/m0/s1 |
InChIKey | FSXRNYHLAZAJJI-LBPRGKRZSA-N |
2D Structure | ![](./image/EGIN0000585.png) | Structure Backbone | ![](./frame/f_EGIN0000585.png) |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 16380259 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23268235 |
ChEMBL Link | CHEMBL204268 |